#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvt s ALA 2 N 0.00 2.86 0.00 -5.12 0.00 -1.26 -4.95 121.76 113.29 2fvt s ALA 2 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2fvt s ALA 2 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2fvt s ALA 2 CO 0.00 -3.21 0.00 1.04 0.00 0.00 0.00 175.76 173.59 2fvt n GLN 3 N 8.78 2.80 -2.69 0.00 1.13 -1.26 -5.10 117.38 121.04 2fvt n GLN 3 Ca 0.07 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.71 2fvt n GLN 3 Cb 0.48 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.81 2fvt n GLN 3 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2fvt s ARG 4 N -0.09 4.47 -0.10 -1.09 3.52 -1.26 -5.02 118.95 119.38 2fvt s ARG 4 Ca 0.00 1.40 -0.16 0.00 -0.13 0.00 0.00 55.73 56.85 2fvt s ARG 4 Cb 0.00 -3.51 0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2fvt s ARG 4 CO 0.00 -0.22 0.40 0.45 -0.81 0.00 0.00 175.30 175.12 2fvt s SER 5 N 1.07 -0.37 0.27 -2.12 0.15 -1.26 -5.15 113.70 106.29 2fvt s SER 5 Ca 0.50 0.58 -0.29 0.00 0.70 0.00 0.00 55.95 57.44 2fvt s SER 5 Cb -0.19 0.65 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 2fvt s SER 5 CO 0.22 -0.27 0.96 -1.61 1.20 0.00 0.00 173.24 173.74 2fvt s GLU 6 N -0.37 4.75 -0.14 5.44 2.02 -1.26 -4.97 118.70 124.16 2fvt s GLU 6 Ca -0.05 1.48 -0.29 0.00 0.02 0.00 0.00 54.97 56.12 2fvt s GLU 6 Cb -0.03 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 2fvt s GLU 6 CO 0.02 0.41 1.46 -1.50 0.02 0.00 0.00 175.26 175.67 2fvt s ILE 7 N -1.30 3.93 0.12 -1.63 2.07 -1.26 -5.01 121.20 118.12 2fvt s ILE 7 Ca 0.44 1.11 -0.18 0.00 -1.41 0.00 0.00 60.65 60.62 2fvt s ILE 7 Cb -0.25 -3.77 -0.07 0.00 0.13 0.00 0.00 42.46 38.50 2fvt s ILE 7 CO 0.31 -0.16 0.59 -2.16 -1.91 0.00 0.00 174.94 171.61 2fvt s PRO 8 N 3.91 4.15 0.00 3.50 0.04 -1.26 -4.80 135.00 140.54 2fvt s PRO 8 Ca 0.64 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2fvt s PRO 8 Cb -0.26 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2fvt s PRO 8 CO 0.23 0.56 0.00 1.58 0.04 0.00 0.00 177.00 179.41 2fvt n HIS 9 N 1.31 -1.15 -4.44 0.56 -0.00 -1.26 -5.14 115.22 105.10 2fvt n HIS 9 Ca -0.08 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.84 2fvt n HIS 9 Cb 0.51 0.23 -0.10 0.00 -0.12 0.00 0.00 29.99 30.51 2fvt n HIS 9 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 2fvt s PHE 10 N -1.64 2.54 0.33 1.57 0.08 -1.26 -5.02 117.98 114.57 2fvt s PHE 10 Ca 0.00 -0.62 0.12 0.00 0.12 0.00 0.00 56.93 56.55 2fvt s PHE 10 Cb 0.00 -1.79 0.98 0.00 -0.57 0.00 0.00 43.02 41.64 2fvt s PHE 10 CO 0.00 0.38 1.68 -1.00 -0.10 0.00 0.00 175.22 176.18 2fvt h PRO 11 N 1.68 0.39 -5.07 0.24 0.13 -1.93 -3.47 132.00 123.98 2fvt h PRO 11 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2fvt h PRO 11 Cb 1.25 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2fvt h PRO 11 CO 0.76 0.26 -0.76 -2.13 -0.23 0.00 0.00 178.00 175.90 2fvt n ARG 12 N -5.01 -2.92 -3.86 0.86 0.63 -1.26 -5.05 116.66 100.05 2fvt n ARG 12 Ca 0.29 2.43 -0.11 0.00 -0.92 0.00 0.00 57.85 59.54 2fvt n ARG 12 Cb 0.87 -5.27 -0.11 0.00 0.45 0.00 0.00 32.46 28.40 2fvt n ARG 12 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2fvt s THR 13 N -1.92 0.06 -1.94 5.15 -1.32 -1.26 -5.01 115.64 109.39 2fvt s THR 13 Ca 0.09 -0.50 0.22 0.00 -1.21 0.00 0.00 61.69 60.30 2fvt s THR 13 Cb -0.03 -0.37 0.65 0.00 -1.51 0.00 0.00 72.50 71.24 2fvt s THR 13 CO 0.74 -0.27 1.54 0.00 -2.21 0.00 0.00 174.62 174.42 2fvt n ALA 14 N 1.91 2.38 -3.70 11.08 0.00 -1.26 -4.82 120.51 126.10 2fvt n ALA 14 Ca -0.20 -1.31 -0.36 0.00 0.00 0.00 0.00 53.44 51.57 2fvt n ALA 14 Cb 0.56 -0.92 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 2fvt n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fvt s ALA 15 N -1.01 3.10 -0.60 0.00 0.00 -1.26 -4.06 121.76 117.93 2fvt s ALA 15 Ca 0.49 -2.34 -0.19 0.00 0.00 0.00 0.00 51.96 49.92 2fvt s ALA 15 Cb 0.26 -2.34 0.10 0.00 0.00 0.00 0.00 23.12 21.14 2fvt s ALA 15 CO 0.33 -1.68 0.73 0.42 0.00 0.00 0.00 175.76 175.57 2fvt s ILE 16 N 1.19 4.77 0.09 0.00 1.01 -1.26 -4.91 121.20 122.09 2fvt s ILE 16 Ca 0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 2fvt s ILE 16 Cb -0.22 -4.51 -0.26 0.00 0.01 0.00 0.00 42.46 37.48 2fvt s ILE 16 CO -0.03 -1.16 1.19 -0.78 0.00 0.00 0.00 174.94 174.16 2fvt h ASP 17 N 9.22 0.35 -4.28 3.58 3.58 -1.97 -3.40 116.42 123.51 2fvt h ASP 17 Ca -0.29 -0.37 -0.64 0.00 0.42 0.00 0.00 57.03 56.15 2fvt h ASP 17 Cb 1.09 -0.11 -0.41 0.00 1.72 0.00 0.00 39.33 41.61 2fvt h ASP 17 CO 1.11 1.27 -0.63 0.00 -2.88 0.00 0.00 179.24 178.11 2fvt s ALA 18 N -2.73 3.30 -0.29 -0.78 0.00 -1.23 -5.01 121.76 115.02 2fvt s ALA 18 Ca -0.03 -3.29 0.01 0.00 0.00 0.00 0.00 51.96 48.64 2fvt s ALA 18 Cb 0.08 -2.15 0.09 0.00 0.00 0.00 0.00 23.12 21.13 2fvt s ALA 18 CO 0.87 -2.03 0.05 -0.47 0.00 0.00 0.00 175.76 174.18 2fvt s TYR 19 N -0.35 2.30 -0.10 0.00 5.04 -1.26 -2.20 117.35 120.79 2fvt s TYR 19 Ca 0.17 -1.98 0.04 0.00 -2.44 0.00 0.00 57.07 52.87 2fvt s TYR 19 Cb -0.25 -1.92 0.12 0.00 0.35 0.00 0.00 41.96 40.26 2fvt s TYR 19 CO -0.01 -0.85 0.79 0.41 -1.34 0.00 0.00 175.55 174.55 2fvt n GLY 20 N 4.68 0.02 3.65 8.97 0.00 -1.26 -5.09 105.19 116.16 2fvt n GLY 20 Ca -0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2fvt n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fvt s LYS 21 N 0.04 2.02 -1.09 1.61 2.20 -1.26 -5.04 119.74 118.22 2fvt s LYS 21 Ca 0.03 -1.54 -0.15 0.00 -0.36 0.00 0.00 55.97 53.94 2fvt s LYS 21 Cb 0.13 0.53 -0.07 0.00 -1.51 0.00 0.00 37.83 36.91 2fvt s LYS 21 CO -0.04 -0.89 2.17 0.41 -0.36 0.00 0.00 175.35 176.64 2fvt n GLY 22 N -0.53 3.38 0.00 5.54 0.00 -1.26 -4.68 105.19 107.63 2fvt n GLY 22 Ca -0.04 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2fvt n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fvt n GLY 23 N 4.13 3.16 3.58 -0.02 0.00 -1.26 -4.46 105.19 110.32 2fvt n GLY 23 Ca 0.53 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 2fvt n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fvt s PHE 24 N -2.00 3.22 -0.41 1.61 0.40 -0.01 -4.56 117.98 116.24 2fvt s PHE 24 Ca 0.00 0.23 -0.16 0.00 -0.60 0.00 0.00 56.93 56.40 2fvt s PHE 24 Cb 0.00 -2.66 0.02 0.00 0.51 0.00 0.00 43.02 40.89 2fvt s PHE 24 CO 0.00 -0.34 0.34 -0.47 0.70 0.00 0.00 175.22 175.45 2fvt s TYR 25 N 2.10 3.22 0.37 0.36 5.04 -0.93 -0.28 117.35 127.22 2fvt s TYR 25 Ca 0.14 -0.47 0.04 0.00 -2.44 0.00 0.00 57.07 54.35 2fvt s TYR 25 Cb -0.16 -2.68 -0.03 0.00 0.35 0.00 0.00 41.96 39.44 2fvt s TYR 25 CO 0.11 -0.60 0.17 -0.59 -1.34 0.00 0.00 175.55 173.30 2fvt s PHE 26 N 1.84 1.74 -0.59 4.97 -0.71 -1.14 -3.53 117.98 120.57 2fvt s PHE 26 Ca 0.08 -1.39 -0.27 0.00 -1.04 0.00 0.00 56.93 54.31 2fvt s PHE 26 Cb -0.18 -0.99 -0.10 0.00 -1.21 0.00 0.00 43.02 40.54 2fvt s PHE 26 CO 0.11 -0.48 2.46 0.00 -1.34 0.00 0.00 175.22 175.97 2fvt n ALA 27 N -0.77 0.69 0.00 1.99 0.00 -1.26 -3.08 120.51 118.08 2fvt n ALA 27 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2fvt n ALA 27 Cb 0.64 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2fvt n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fvt n GLY 28 N 6.12 1.26 3.41 0.00 0.00 -1.26 -4.79 105.19 109.93 2fvt n GLY 28 Ca 0.42 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2fvt n GLY 28 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2fvt s MET 29 N 0.00 1.31 -0.52 1.61 0.00 -1.18 -5.11 119.30 115.41 2fvt s MET 29 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 55.69 54.23 2fvt s MET 29 Cb 0.00 0.40 0.08 0.00 0.00 0.00 0.00 34.83 35.30 2fvt s MET 29 CO 0.00 -0.50 0.59 -1.54 0.00 0.00 0.00 175.02 173.57 2fvt s SER 30 N -3.02 6.19 -0.46 -1.18 1.04 -1.26 -2.86 113.70 112.16 2fvt s SER 30 Ca 0.23 -1.21 -0.26 0.00 0.48 0.00 0.00 55.95 55.19 2fvt s SER 30 Cb 0.02 -2.26 0.03 0.00 0.10 0.00 0.00 66.02 63.91 2fvt s SER 30 CO 0.05 -0.90 0.96 -2.28 0.98 0.00 0.00 173.24 172.06 2fvt s HIS 31 N 2.36 2.91 -0.41 5.02 5.04 0.62 -4.76 115.29 126.06 2fvt s HIS 31 Ca 0.11 0.47 -0.29 0.00 -1.54 0.00 0.00 55.06 53.80 2fvt s HIS 31 Cb -0.22 -4.04 0.02 0.00 0.04 0.00 0.00 32.58 28.38 2fvt s HIS 31 CO 0.09 -1.12 1.14 -1.14 -2.34 0.00 0.00 174.74 171.37 2fvt s GLN 32 N 3.87 3.84 0.00 2.88 -0.44 -1.26 -0.83 119.66 127.71 2fvt s GLN 32 Ca 0.39 0.78 0.00 0.00 -2.50 0.00 0.00 55.36 54.03 2fvt s GLN 32 Cb -0.10 -3.86 0.00 0.00 -1.64 0.00 0.00 33.01 27.42 2fvt s GLN 32 CO 0.27 -1.23 0.00 0.41 0.50 0.00 0.00 175.29 175.24 2fvt n GLY 33 N 4.52 0.65 3.91 2.59 0.00 -1.26 -5.03 105.19 110.56 2fvt n GLY 33 Ca 0.12 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 2fvt n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fvt s SER 34 N -4.00 6.16 0.03 1.61 0.01 -1.24 -1.88 113.70 114.40 2fvt s SER 34 Ca 0.00 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.40 2fvt s SER 34 Cb 0.00 -1.81 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 2fvt s SER 34 CO 0.00 0.07 -0.08 -0.76 0.41 0.00 0.00 173.24 172.88 2fvt s LEU 35 N -3.11 2.20 -0.46 2.44 1.43 0.20 -2.07 118.68 119.31 2fvt s LEU 35 Ca 0.34 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2fvt s LEU 35 Cb -0.11 -0.25 0.12 0.00 0.03 0.00 0.00 46.19 45.98 2fvt s LEU 35 CO 0.27 -0.12 0.28 -0.76 0.23 0.00 0.00 176.35 176.26 2fvt s LEU 36 N -1.25 5.44 -1.00 1.79 1.43 0.11 -1.50 118.68 123.70 2fvt s LEU 36 Ca -0.06 -2.07 -0.23 0.00 -1.03 0.00 0.00 54.13 50.74 2fvt s LEU 36 Cb -0.08 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.30 2fvt s LEU 36 CO 0.00 -0.58 1.40 -0.36 0.23 0.00 0.00 176.35 177.04 2fvt s PHE 37 N 1.10 2.59 0.21 0.29 0.40 0.67 -0.73 117.98 122.51 2fvt s PHE 37 Ca 0.08 -0.88 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 2fvt s PHE 37 Cb -0.24 -4.64 -0.03 0.00 0.51 0.00 0.00 43.02 38.61 2fvt s PHE 37 CO -0.03 -1.89 0.36 -0.51 0.70 0.00 0.00 175.22 173.85 2fvt s LEU 38 N 4.73 4.27 0.54 -0.37 1.43 -0.37 -0.77 118.68 128.14 2fvt s LEU 38 Ca 0.44 0.22 0.29 0.00 -1.03 0.00 0.00 54.13 54.04 2fvt s LEU 38 Cb -0.01 -2.99 1.45 0.00 0.03 0.00 0.00 46.19 44.66 2fvt s LEU 38 CO -0.09 -0.05 1.94 -0.65 0.23 0.00 0.00 176.35 177.73 2fvt h PRO 39 N 1.63 0.00 0.33 1.29 0.11 -1.88 -2.19 132.00 131.29 2fvt h PRO 39 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2fvt h PRO 39 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2fvt h PRO 39 CO 0.65 0.00 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.84 2fvt h ASP 40 N 0.00 -0.38 -1.55 -2.05 5.19 -1.93 -3.48 116.42 112.21 2fvt h ASP 40 Ca 0.33 0.01 0.09 0.00 -0.62 0.00 0.00 57.03 56.84 2fvt h ASP 40 Cb 1.34 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.93 2fvt h ASP 40 CO -0.00 -0.24 0.32 0.00 -3.12 0.00 0.00 179.24 176.20 2fvt n ALA 41 N -2.28 -1.44 -2.90 3.45 0.00 -0.83 -4.76 120.51 111.76 2fvt n ALA 41 Ca -0.06 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.43 2fvt n ALA 41 Cb 0.18 0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 2fvt n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fvt s VAL 42 N -2.29 4.48 0.27 0.00 1.01 -1.26 -1.24 120.40 121.38 2fvt s VAL 42 Ca 0.12 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2fvt s VAL 42 Cb -0.01 -4.61 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 2fvt s VAL 42 CO 0.03 -1.32 0.40 0.26 0.00 0.00 0.00 175.10 174.47 2fvt s TRP 43 N 3.64 3.33 0.47 5.22 0.52 0.09 -4.89 118.94 127.32 2fvt s TRP 43 Ca 0.20 -0.09 -0.14 0.00 0.02 0.00 0.00 56.10 56.09 2fvt s TRP 43 Cb -0.18 -1.72 -0.07 0.00 -1.15 0.00 0.00 33.47 30.35 2fvt s TRP 43 CO 0.10 0.28 0.90 0.20 0.02 0.00 0.00 176.95 178.45 2fvt s GLY 44 N -4.05 2.00 0.02 0.98 0.00 -1.26 0.08 107.32 105.09 2fvt s GLY 44 Ca 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.09 2fvt s GLY 44 CO 0.30 0.25 0.02 0.86 0.00 0.00 0.00 173.10 174.53 2fvt s TRP 45 N -2.54 0.20 0.00 1.90 -0.00 -0.88 -4.53 118.94 113.08 2fvt s TRP 45 Ca 0.56 -0.42 0.00 0.00 -0.00 0.00 0.00 56.10 56.24 2fvt s TRP 45 Cb -0.10 -0.15 0.00 0.00 -0.00 0.00 0.00 33.47 33.22 2fvt s TRP 45 CO 0.32 -0.22 0.00 -3.47 -0.00 0.00 0.00 176.95 173.58 2fvt n ASP 46 N 1.53 0.00 -2.33 5.86 -0.08 -1.26 -3.62 116.55 116.65 2fvt n ASP 46 Ca -0.23 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.04 2fvt n ASP 46 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 2fvt n ASP 46 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2fvt n VAL 47 N 0.00 -8.64 0.04 5.18 0.31 -1.26 -4.50 118.33 109.47 2fvt n VAL 47 Ca 0.00 1.14 -0.03 0.00 -0.01 0.00 0.00 64.34 65.44 2fvt n VAL 47 Cb 0.00 -6.01 -0.08 0.00 -0.91 0.00 0.00 33.84 26.83 2fvt n VAL 47 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2fvt h THR 48 N 1.93 0.89 -3.58 2.52 1.35 -1.99 -3.43 112.91 110.60 2fvt h THR 48 Ca 0.00 -2.49 -0.64 0.00 -0.55 0.00 0.00 66.41 62.72 2fvt h THR 48 Cb 0.11 2.36 -0.21 0.00 -1.73 0.00 0.00 68.15 68.68 2fvt h THR 48 CO 0.08 0.51 -0.61 -0.54 -0.25 0.00 0.00 175.52 174.70 2fvt s LYS 49 N -2.81 3.72 0.47 4.72 1.02 -1.26 -4.98 119.74 120.63 2fvt s LYS 49 Ca -0.01 -0.45 0.24 0.00 0.02 0.00 0.00 55.97 55.77 2fvt s LYS 49 Cb 0.09 -3.30 1.27 0.00 -0.52 0.00 0.00 37.83 35.37 2fvt s LYS 49 CO 0.80 -0.09 1.86 -1.00 -0.92 0.00 0.00 175.35 176.00 2fvt h PRO 50 N 7.90 0.21 -5.64 -1.68 0.13 -1.91 -3.32 132.00 127.69 2fvt h PRO 50 Ca -0.37 -0.01 -0.36 0.00 -0.87 0.00 0.00 66.00 64.38 2fvt h PRO 50 Cb 1.18 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 2fvt h PRO 50 CO 0.60 0.14 1.05 -1.21 -0.23 0.00 0.00 178.00 178.35 2fvt s GLU 51 N -5.23 2.70 0.00 0.86 8.01 -1.26 -2.69 118.70 121.09 2fvt s GLU 51 Ca -0.07 -0.89 0.00 0.00 0.01 0.00 0.00 54.97 54.02 2fvt s GLU 51 Cb 0.23 -5.20 0.00 0.00 -4.31 0.00 0.00 34.13 24.84 2fvt s GLU 51 CO 0.78 -3.50 0.00 0.94 0.01 0.00 0.00 175.26 173.49 2fvt n GLN 52 N 8.55 0.00 -1.37 1.61 7.27 -1.25 -5.10 117.38 127.10 2fvt n GLN 52 Ca 0.43 0.00 -0.53 0.00 0.07 0.00 0.00 57.00 56.97 2fvt n GLN 52 Cb 0.47 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.01 2fvt n GLN 52 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2fvt n ILE 53 N 0.00 0.06 -3.96 1.69 5.41 -1.10 -4.81 119.36 116.65 2fvt n ILE 53 Ca 0.00 -0.12 -0.02 0.00 1.00 0.00 0.00 62.75 63.61 2fvt n ILE 53 Cb 0.00 -0.98 -0.01 0.00 -0.71 0.00 0.00 39.64 37.95 2fvt n ILE 53 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2fvt n ASP 54 N 9.12 -0.08 0.02 4.38 5.75 -1.26 -5.01 116.55 129.47 2fvt n ASP 54 Ca 0.51 -1.22 -0.01 0.00 -0.01 0.00 0.00 54.79 54.07 2fvt n ASP 54 Cb 0.09 0.18 0.26 0.00 -1.03 0.00 0.00 41.12 40.62 2fvt n ASP 54 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2fvt h ARG 55 N 0.00 0.47 -0.08 0.11 2.43 -1.95 -1.25 114.38 114.11 2fvt h ARG 55 Ca -0.02 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 58.83 2fvt h ARG 55 Cb 0.12 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2fvt h ARG 55 CO 0.03 0.60 -0.65 1.88 -1.51 0.00 0.00 179.97 180.32 2fvt h TYR 56 N 0.44 0.81 0.00 2.20 0.05 -1.96 -2.51 116.97 116.00 2fvt h TYR 56 Ca 0.08 -0.38 -0.01 0.00 0.05 0.00 0.00 58.73 58.47 2fvt h TYR 56 Cb 0.49 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.11 2fvt h TYR 56 CO 0.02 1.19 -0.04 0.77 -1.05 0.00 0.00 178.16 179.05 2fvt h SER 57 N 0.20 0.00 -0.48 3.88 0.02 -1.82 -2.00 113.55 113.35 2fvt h SER 57 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2fvt h SER 57 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2fvt h SER 57 CO 0.13 0.04 0.00 0.18 -1.14 0.00 0.00 176.83 176.04 2fvt n LEU 58 N -3.23 4.31 0.22 5.07 4.77 -0.49 -4.52 117.00 123.13 2fvt n LEU 58 Ca -0.01 -2.57 0.07 0.00 -0.03 0.00 0.00 56.01 53.46 2fvt n LEU 58 Cb 0.22 -0.52 0.52 0.00 -2.33 0.00 0.00 43.42 41.31 2fvt n LEU 58 CO 0.26 0.74 0.87 1.56 -1.33 0.00 0.00 177.39 179.49 2fvt h GLN 59 N 3.08 0.00 0.00 3.23 1.08 -0.90 0.18 115.11 121.78 2fvt h GLN 59 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2fvt h GLN 59 Cb 1.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 2fvt h GLN 59 CO 0.22 0.22 -0.29 -0.09 -0.95 0.00 0.00 178.83 177.94 2fvt h ARG 60 N 0.00 0.00 0.09 1.46 2.43 -1.81 -1.08 114.38 115.47 2fvt h ARG 60 Ca -0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 2fvt h ARG 60 Cb 0.43 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2fvt h ARG 60 CO 0.03 0.29 -0.82 0.28 -1.51 0.00 0.00 179.97 178.23 2fvt h VAL 61 N 0.00 1.43 -0.05 0.20 2.07 -1.11 -3.22 116.25 115.57 2fvt h VAL 61 Ca -0.00 -2.35 0.01 0.00 0.82 0.00 0.00 66.70 65.18 2fvt h VAL 61 Cb 0.72 2.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2fvt h VAL 61 CO 0.04 0.68 0.04 -0.26 0.02 0.00 0.00 177.57 178.09 2fvt h PHE 62 N -0.14 0.00 0.20 1.57 0.04 -0.61 0.04 116.94 118.03 2fvt h PHE 62 Ca -0.13 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.65 2fvt h PHE 62 Cb 1.58 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.70 2fvt h PHE 62 CO 0.16 0.00 -0.31 0.22 -0.60 0.00 0.00 178.31 177.78 2fvt h ASP 63 N 0.00 -0.86 -0.57 2.17 1.82 -1.21 -2.99 116.42 114.78 2fvt h ASP 63 Ca 0.02 0.09 -0.33 0.00 -0.39 0.00 0.00 57.03 56.42 2fvt h ASP 63 Cb 0.10 0.31 -0.20 0.00 0.68 0.00 0.00 39.33 40.22 2fvt h ASP 63 CO -0.00 -0.41 0.06 0.59 -1.61 0.00 0.00 179.24 177.86 2fvt n ASN 64 N -5.42 3.49 0.00 2.28 3.02 -1.07 -4.66 115.26 112.91 2fvt n ASN 64 Ca -0.08 -3.76 0.07 0.00 -0.03 0.00 0.00 54.58 50.78 2fvt n ASN 64 Cb 0.32 -0.68 0.32 0.00 -0.61 0.00 0.00 39.78 39.13 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fvt n ALA 65 N -1.06 1.68 0.24 5.41 0.00 -0.02 -2.12 120.51 124.63 2fvt n ALA 65 Ca 0.42 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.93 2fvt n ALA 65 Cb 1.10 -1.24 0.51 0.00 0.00 0.00 0.00 19.45 19.82 2fvt n ALA 65 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2fvt h ASN 66 N 0.00 0.00 -0.23 0.00 -1.07 -1.83 -2.34 115.58 110.11 2fvt h ASN 66 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2fvt h ASN 66 Cb 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 2fvt h ASN 66 CO 0.00 0.15 0.00 0.00 0.07 0.00 0.00 177.43 177.65 2fvt n ALA 67 N -2.18 2.41 -3.70 4.14 0.00 -0.90 -4.86 120.51 115.42 2fvt n ALA 67 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 53.44 52.23 2fvt n ALA 67 Cb 0.40 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 2fvt n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fvt s ILE 68 N -1.43 3.11 -0.16 0.00 1.01 -0.88 -3.96 121.20 118.89 2fvt s ILE 68 Ca 0.30 -1.72 0.10 0.00 0.00 0.00 0.00 60.65 59.32 2fvt s ILE 68 Cb 0.18 -2.97 -0.23 0.00 0.01 0.00 0.00 42.46 39.45 2fvt s ILE 68 CO 0.26 -0.39 0.21 0.47 0.00 0.00 0.00 174.94 175.49 2fvt n ASP 69 N 4.60 0.96 -4.13 3.58 9.92 0.25 -4.41 116.55 127.31 2fvt n ASP 69 Ca -0.07 0.12 -0.29 0.00 -0.53 0.00 0.00 54.79 54.02 2fvt n ASP 69 Cb 0.42 0.14 -0.17 0.00 -0.64 0.00 0.00 41.12 40.88 2fvt n ASP 69 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2fvt s THR 70 N -2.54 1.65 -0.31 -3.53 2.01 -0.88 -0.83 115.64 111.22 2fvt s THR 70 Ca -0.15 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2fvt s THR 70 Cb 0.07 -1.45 0.08 0.00 0.01 0.00 0.00 72.50 71.21 2fvt s THR 70 CO 0.77 0.47 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.94 2fvt s LEU 71 N 0.48 4.12 -0.30 4.42 2.96 0.87 -0.43 118.68 130.81 2fvt s LEU 71 Ca -0.17 -1.70 -0.19 0.00 -0.22 0.00 0.00 54.13 51.85 2fvt s LEU 71 Cb -0.17 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2fvt s LEU 71 CO 0.07 -0.30 0.56 -0.63 -1.32 0.00 0.00 176.35 174.74 2fvt s ILE 72 N 1.06 5.00 -0.30 6.68 1.01 0.41 -1.05 121.20 134.00 2fvt s ILE 72 Ca -0.00 0.77 -0.09 0.00 0.00 0.00 0.00 60.65 61.33 2fvt s ILE 72 Cb -0.20 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2fvt s ILE 72 CO -0.05 -0.07 0.13 -0.69 0.00 0.00 0.00 174.94 174.26 2fvt s VAL 73 N 2.46 4.47 -0.55 2.92 1.01 0.25 -0.17 120.40 130.77 2fvt s VAL 73 Ca 0.22 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 2fvt s VAL 73 Cb -0.15 -3.26 0.10 0.00 0.00 0.00 0.00 36.38 33.07 2fvt s VAL 73 CO 0.11 0.10 0.59 -0.83 0.00 0.00 0.00 175.10 175.08 2fvt s GLY 74 N 1.60 1.91 -0.00 4.51 0.00 0.86 -0.37 107.32 115.82 2fvt s GLY 74 Ca 0.04 -2.26 0.03 0.00 0.00 0.00 0.00 44.72 42.53 2fvt s GLY 74 CO 0.05 1.38 1.04 -1.30 0.00 0.00 0.00 173.10 174.27 2fvt n THR 75 N 5.42 0.12 0.00 0.90 -2.24 -0.95 -1.48 114.28 116.05 2fvt n THR 75 Ca -0.11 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2fvt n THR 75 Cb 0.42 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2fvt n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fvt n GLY 76 N 0.61 0.12 0.13 3.38 0.00 -1.26 -4.54 105.19 103.63 2fvt n GLY 76 Ca 0.03 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.39 2fvt n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fvt h ALA 77 N 0.00 0.59 -3.38 4.61 0.00 -1.93 -1.45 119.26 117.71 2fvt h ALA 77 Ca 0.00 -0.15 -0.65 0.00 0.00 0.00 0.00 54.91 54.11 2fvt h ALA 77 Cb 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.68 2fvt h ALA 77 CO 0.00 0.17 -0.73 0.16 0.00 0.00 0.00 179.25 178.85 2fvt s ASP 78 N -5.58 4.38 -0.42 0.00 -4.77 -1.26 -4.90 116.67 104.12 2fvt s ASP 78 Ca 0.00 -0.44 -0.18 0.00 -3.30 0.00 0.00 52.55 48.63 2fvt s ASP 78 Cb 0.09 -0.82 0.02 0.00 -1.09 0.00 0.00 42.92 41.12 2fvt s ASP 78 CO 0.78 0.15 0.50 -0.69 0.70 0.00 0.00 175.17 176.61 2fvt s VAL 79 N -1.37 5.00 0.22 2.11 1.01 -1.26 -4.40 120.40 121.72 2fvt s VAL 79 Ca 0.23 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2fvt s VAL 79 Cb -0.10 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 2fvt s VAL 79 CO 0.14 -0.46 1.08 0.86 0.00 0.00 0.00 175.10 176.73 2fvt s TRP 80 N 2.36 3.63 -0.52 5.22 -0.00 -1.26 -4.98 118.94 123.38 2fvt s TRP 80 Ca 0.16 1.67 -0.24 0.00 -0.00 0.00 0.00 56.10 57.69 2fvt s TRP 80 Cb -0.16 -3.25 0.04 0.00 -0.00 0.00 0.00 33.47 30.10 2fvt s TRP 80 CO 0.15 -0.48 0.89 0.42 -0.00 0.00 0.00 176.95 177.93 2fvt s ILE 81 N -0.68 4.48 0.01 5.86 1.01 -1.26 -4.89 121.20 125.73 2fvt s ILE 81 Ca 0.47 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 2fvt s ILE 81 Cb -0.30 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 37.65 2fvt s ILE 81 CO 0.37 -1.00 1.22 0.00 0.00 0.00 0.00 174.94 175.53 2fvt s ALA 82 N 3.72 3.45 0.36 9.38 0.00 -1.26 -4.99 121.76 132.42 2fvt s ALA 82 Ca 0.30 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 2fvt s ALA 82 Cb -0.13 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 2fvt s ALA 82 CO 0.20 -0.61 1.39 -0.35 0.00 0.00 0.00 175.76 176.39 2fvt n PRO 83 N 4.57 2.41 0.11 0.00 -0.04 -1.26 -4.87 135.00 135.92 2fvt n PRO 83 Ca 0.10 0.85 0.11 0.00 -0.04 0.00 0.00 63.50 64.51 2fvt n PRO 83 Cb 0.46 -2.51 0.46 0.00 -0.04 0.00 0.00 33.50 31.88 2fvt n PRO 83 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2fvt n ARG 84 N 0.51 0.15 0.12 0.54 1.74 -1.26 -2.45 116.66 116.01 2fvt n ARG 84 Ca 0.03 0.42 -0.14 0.00 -0.77 0.00 0.00 57.85 57.40 2fvt n ARG 84 Cb 0.37 -1.82 -0.08 0.00 -1.02 0.00 0.00 32.46 29.92 2fvt n ARG 84 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2fvt h GLN 85 N 0.00 -0.24 -0.30 5.56 4.20 -1.99 0.81 115.11 123.15 2fvt h GLN 85 Ca 0.00 0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 2fvt h GLN 85 Cb 0.30 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2fvt h GLN 85 CO 0.00 -0.05 -0.45 1.25 -0.67 0.00 0.00 178.83 178.91 2fvt h LEU 86 N -0.40 0.85 -0.56 1.46 5.85 -1.89 -2.37 115.31 118.25 2fvt h LEU 86 Ca -0.03 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2fvt h LEU 86 Cb 0.31 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2fvt h LEU 86 CO 0.04 1.17 0.25 -0.09 -0.34 0.00 0.00 178.44 179.47 2fvt h ARG 87 N 0.63 0.81 -0.03 1.25 2.43 -1.41 -0.82 114.38 117.24 2fvt h ARG 87 Ca 0.04 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 2fvt h ARG 87 Cb 1.02 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2fvt h ARG 87 CO 0.10 0.69 -0.54 1.49 -1.51 0.00 0.00 179.97 180.19 2fvt h GLU 88 N 0.75 0.08 -0.47 0.20 4.57 -0.82 -0.60 114.58 118.30 2fvt h GLU 88 Ca 0.19 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 2fvt h GLU 88 Cb 0.16 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2fvt h GLU 88 CO -0.02 0.60 0.08 0.00 -1.18 0.00 0.00 179.01 178.50 2fvt h ALA 89 N 1.39 0.62 -0.34 2.92 0.00 -0.92 0.36 119.26 123.29 2fvt h ALA 89 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2fvt h ALA 89 Cb 0.98 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2fvt h ALA 89 CO 0.07 0.34 -0.23 -0.07 0.00 0.00 0.00 179.25 179.37 2fvt h LEU 90 N 0.64 0.66 -1.21 0.00 3.38 -0.86 -2.34 115.31 115.58 2fvt h LEU 90 Ca 0.14 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2fvt h LEU 90 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2fvt h LEU 90 CO 0.01 0.88 -0.36 -0.09 0.09 0.00 0.00 178.44 178.96 2fvt h ARG 91 N 0.57 0.00 -0.42 1.13 2.43 -0.88 0.11 114.38 117.32 2fvt h ARG 91 Ca 0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2fvt h ARG 91 Cb 0.70 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2fvt h ARG 91 CO 0.05 0.36 0.17 0.78 -1.51 0.00 0.00 179.97 179.82 2fvt h GLY 92 N 1.43 0.63 0.00 2.80 0.00 -0.38 -3.28 103.07 104.27 2fvt h GLY 92 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2fvt h GLY 92 CO 0.05 0.28 0.00 -0.62 0.00 0.00 0.00 176.54 176.25 2fvt n VAL 93 N -4.38 0.00 0.00 4.60 0.31 -0.76 -4.99 118.33 113.12 2fvt n VAL 93 Ca 0.03 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 2fvt n VAL 93 Cb 0.14 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 2fvt n VAL 93 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2fvt n ASN 94 N -0.50 0.00 -4.09 4.52 5.15 -0.44 -5.12 115.26 114.79 2fvt n ASN 94 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 2fvt n ASN 94 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.10 2fvt n ASN 94 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2fvt s VAL 95 N 0.00 2.38 -0.67 3.44 1.01 0.25 -4.31 120.40 122.50 2fvt s VAL 95 Ca 0.00 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.07 2fvt s VAL 95 Cb 0.00 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2fvt s VAL 95 CO 0.00 -0.12 1.06 -0.69 0.00 0.00 0.00 175.10 175.35 2fvt s VAL 96 N 1.11 4.14 -0.15 2.92 1.01 -0.01 -3.11 120.40 126.31 2fvt s VAL 96 Ca -0.06 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 2fvt s VAL 96 Cb -0.20 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.41 2fvt s VAL 96 CO -0.04 -1.54 0.66 -0.22 0.00 0.00 0.00 175.10 173.95 2fvt s LEU 97 N 4.58 4.20 -0.03 3.92 0.20 -1.26 -0.09 118.68 130.22 2fvt s LEU 97 Ca 0.27 0.97 0.02 0.00 0.69 0.00 0.00 54.13 56.08 2fvt s LEU 97 Cb -0.14 -2.97 0.01 0.00 -0.43 0.00 0.00 46.19 42.67 2fvt s LEU 97 CO 0.13 -0.22 -0.06 -0.62 -0.29 0.00 0.00 176.35 175.29 2fvt s ASP 98 N 1.03 0.87 -0.21 3.68 2.15 -0.22 -4.97 116.67 119.01 2fvt s ASP 98 Ca 0.32 -0.13 -0.13 0.00 0.43 0.00 0.00 52.55 53.05 2fvt s ASP 98 Cb -0.16 -0.28 -0.05 0.00 -0.30 0.00 0.00 42.92 42.13 2fvt s ASP 98 CO 0.13 0.01 0.25 0.42 -0.17 0.00 0.00 175.17 175.81 2fvt s THR 99 N 0.41 5.31 0.19 1.71 -4.23 -1.26 -0.59 115.64 117.19 2fvt s THR 99 Ca -0.05 0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 2fvt s THR 99 Cb -0.09 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 2fvt s THR 99 CO 0.00 0.34 0.20 0.23 -0.54 0.00 0.00 174.62 174.85 2fvt n MET 100 N 4.10 0.29 -2.00 3.99 2.81 0.50 -4.95 117.12 121.85 2fvt n MET 100 Ca -0.12 -1.83 -0.31 0.00 -1.81 0.00 0.00 57.70 53.62 2fvt n MET 100 Cb 0.52 1.57 0.00 0.00 -0.71 0.00 0.00 33.22 34.60 2fvt n MET 100 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2fvt s GLN 101 N -2.68 3.60 0.14 0.03 1.11 -1.26 -2.24 119.66 118.36 2fvt s GLN 101 Ca 0.21 0.87 -0.16 0.00 0.01 0.00 0.00 55.36 56.29 2fvt s GLN 101 Cb 0.01 -2.08 0.00 0.00 -1.01 0.00 0.00 33.01 29.93 2fvt s GLN 101 CO 0.15 -0.57 1.75 1.79 0.01 0.00 0.00 175.29 178.42 2fvt h THR 102 N 0.05 1.15 0.26 -0.19 1.35 -1.53 -2.08 112.91 111.91 2fvt h THR 102 Ca -0.45 -0.39 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 2fvt h THR 102 Cb 1.19 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 2fvt h THR 102 CO 0.61 0.16 -0.31 1.23 -0.25 0.00 0.00 175.52 176.95 2fvt h GLY 103 N 0.51 -1.08 0.75 5.82 0.00 -1.94 -0.71 103.07 106.42 2fvt h GLY 103 Ca 0.14 0.51 0.13 0.00 0.00 0.00 0.00 47.33 48.10 2fvt h GLY 103 CO -0.02 -0.34 0.50 -2.55 0.00 0.00 0.00 176.54 174.13 2fvt h PRO 104 N -0.58 0.51 -0.73 4.80 0.11 -1.98 -1.73 132.00 132.40 2fvt h PRO 104 Ca -0.03 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2fvt h PRO 104 Cb 0.52 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 2fvt h PRO 104 CO -0.07 0.34 0.33 0.00 -0.21 0.00 0.00 178.00 178.39 2fvt h ALA 105 N 1.64 0.94 -0.52 -0.75 0.00 -0.96 -0.55 119.26 119.06 2fvt h ALA 105 Ca 0.37 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2fvt h ALA 105 Cb 0.69 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2fvt h ALA 105 CO -0.13 0.52 0.34 0.82 0.00 0.00 0.00 179.25 180.80 2fvt h ILE 106 N 1.03 1.12 0.56 0.00 2.04 -0.23 0.34 117.51 122.38 2fvt h ILE 106 Ca 0.25 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2fvt h ILE 106 Cb 0.14 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2fvt h ILE 106 CO -0.03 0.13 -0.28 -0.09 0.00 0.00 0.00 178.15 177.88 2fvt h ARG 107 N 0.70 -0.73 -0.50 2.37 2.43 -1.09 0.43 114.38 117.97 2fvt h ARG 107 Ca 0.19 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2fvt h ARG 107 Cb -0.07 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2fvt h ARG 107 CO -0.05 -0.49 0.31 1.15 -1.51 0.00 0.00 179.97 179.38 2fvt h THR 108 N -0.76 1.15 -0.65 0.20 2.02 -1.02 -1.90 112.91 111.95 2fvt h THR 108 Ca -0.08 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2fvt h THR 108 Cb 0.59 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2fvt h THR 108 CO 0.12 0.15 0.37 0.22 0.37 0.00 0.00 175.52 176.75 2fvt h TYR 109 N 0.68 0.89 -0.19 3.16 3.20 -0.86 0.49 116.97 124.33 2fvt h TYR 109 Ca 0.18 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.08 2fvt h TYR 109 Cb -0.02 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 37.92 2fvt h TYR 109 CO -0.03 0.63 -0.09 -0.97 -1.64 0.00 0.00 178.16 176.06 2fvt h ASN 110 N 0.89 -0.31 -0.36 -2.11 -0.73 -0.45 -0.67 115.58 111.85 2fvt h ASN 110 Ca 0.23 0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.40 2fvt h ASN 110 Cb 0.03 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 2fvt h ASN 110 CO -0.04 -0.12 -0.08 0.40 -0.37 0.00 0.00 177.43 177.22 2fvt h ILE 111 N -0.07 1.28 -0.45 2.57 5.03 -1.06 -2.83 117.51 121.97 2fvt h ILE 111 Ca 0.11 -1.15 -0.06 0.00 -0.12 0.00 0.00 64.86 63.64 2fvt h ILE 111 Cb 0.23 1.28 -0.02 0.00 -3.03 0.00 0.00 36.82 35.27 2fvt h ILE 111 CO -0.24 0.38 0.02 0.24 -0.68 0.00 0.00 178.15 177.87 2fvt h MET 112 N 0.49 0.73 -0.27 2.37 2.86 -0.59 0.21 114.93 120.74 2fvt h MET 112 Ca 0.09 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2fvt h MET 112 Cb 0.59 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2fvt h MET 112 CO 0.03 0.73 0.07 0.82 1.06 0.00 0.00 176.91 179.63 2fvt h ILE 113 N 0.69 1.21 0.00 -1.22 1.08 -1.11 0.41 117.51 118.57 2fvt h ILE 113 Ca 0.14 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2fvt h ILE 113 Cb 0.39 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 2fvt h ILE 113 CO 0.01 0.22 0.00 1.23 -0.69 0.00 0.00 178.15 178.92 2fvt h GLY 114 N 0.27 0.00 0.00 5.37 0.00 -1.17 -3.11 103.07 104.42 2fvt h GLY 114 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2fvt h GLY 114 CO -0.00 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.33 2fvt n GLU 115 N -2.99 0.00 -0.40 4.80 4.07 0.71 -4.90 120.64 121.93 2fvt n GLU 115 Ca 0.00 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 2fvt n GLU 115 Cb 0.26 -1.04 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 2fvt n GLU 115 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2fvt n ARG 116 N -1.70 0.00 0.00 5.31 0.63 -0.48 -5.08 116.66 115.34 2fvt n ARG 116 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2fvt n ARG 116 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2fvt n ARG 116 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2fvt n ARG 117 N 0.00 0.00 -1.72 -0.14 1.74 0.01 -4.89 116.66 111.67 2fvt n ARG 117 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2fvt n ARG 117 Cb 0.46 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.85 2fvt n ARG 117 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2fvt n ARG 118 N 10.96 -1.05 -4.20 5.56 1.74 -1.25 -4.74 116.66 123.67 2fvt n ARG 118 Ca 0.00 0.90 -0.16 0.00 -0.77 0.00 0.00 57.85 57.81 2fvt n ARG 118 Cb 0.00 -5.07 -0.14 0.00 -1.02 0.00 0.00 32.46 26.23 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2fvt s VAL 119 N -2.60 0.59 0.05 1.55 0.11 -1.26 -0.58 120.40 118.27 2fvt s VAL 119 Ca 0.00 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 58.56 2fvt s VAL 119 Cb 0.00 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2fvt s VAL 119 CO 0.00 0.00 -0.16 0.00 -3.33 0.00 0.00 175.10 171.61 2fvt s ALA 120 N -0.53 1.37 -0.19 1.54 0.00 0.43 -3.99 121.76 120.39 2fvt s ALA 120 Ca -0.01 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2fvt s ALA 120 Cb -0.05 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2fvt s ALA 120 CO 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 175.76 175.84 2fvt s ALA 121 N -0.97 2.30 -0.58 0.00 0.00 0.05 -0.44 121.76 122.12 2fvt s ALA 121 Ca 0.03 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 2fvt s ALA 121 Cb -0.09 -1.23 0.14 0.00 0.00 0.00 0.00 23.12 21.94 2fvt s ALA 121 CO 0.02 -0.49 0.56 0.00 0.00 0.00 0.00 175.76 175.85 2fvt s ALA 122 N 1.29 3.66 -0.17 0.00 0.00 0.76 -0.24 121.76 127.06 2fvt s ALA 122 Ca 0.03 -2.58 -0.03 0.00 0.00 0.00 0.00 51.96 49.38 2fvt s ALA 122 Cb -0.14 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2fvt s ALA 122 CO -0.11 -2.09 -0.06 -0.51 0.00 0.00 0.00 175.76 172.98 2fvt s LEU 123 N 1.60 3.00 -0.13 0.00 1.43 -0.56 -0.10 118.68 123.92 2fvt s LEU 123 Ca 0.06 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2fvt s LEU 123 Cb -0.27 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2fvt s LEU 123 CO 0.02 0.10 0.11 -0.63 0.23 0.00 0.00 176.35 176.19 2fvt s ILE 124 N 0.73 5.26 0.03 -0.59 1.01 -0.55 -0.63 121.20 126.47 2fvt s ILE 124 Ca -0.03 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 2fvt s ILE 124 Cb -0.15 -3.30 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 2fvt s ILE 124 CO 0.02 0.59 1.63 0.00 0.00 0.00 0.00 174.94 177.18 2fvt s ALA 125 N -0.79 3.65 0.04 9.38 0.00 -0.79 -4.26 121.76 128.99 2fvt s ALA 125 Ca 0.13 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 2fvt s ALA 125 Cb -0.12 -3.70 -0.07 0.00 0.00 0.00 0.00 23.12 19.23 2fvt s ALA 125 CO 0.03 -1.16 1.57 0.08 0.00 0.00 0.00 175.76 176.28 2fvt s VAL 126 N 2.98 3.31 -0.83 0.00 1.01 -1.26 -4.90 120.40 120.71 2fvt s VAL 126 Ca 0.73 0.70 -0.25 0.00 0.00 0.00 0.00 61.98 63.16 2fvt s VAL 126 Cb -0.37 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2fvt s VAL 126 CO 0.31 -0.01 1.70 -2.16 0.00 0.00 0.00 175.10 174.94 2fvt s PRO 127 N 2.69 2.92 -0.26 2.72 0.04 -1.26 -4.56 135.00 137.29 2fvt s PRO 127 Ca 0.71 -0.25 -0.28 0.00 0.04 0.00 0.00 61.00 61.21 2fvt s PRO 127 Cb -0.36 -4.82 -0.06 0.00 0.04 0.00 0.00 34.50 29.30 2fvt s PRO 127 CO 0.30 -2.74 2.25 1.28 0.04 0.00 0.00 177.00 178.14 2fvt n LEU 128 N 11.71 3.08 -4.58 -3.56 4.32 -1.26 -4.90 117.00 121.82 2fvt n LEU 128 Ca 0.27 0.11 -0.42 0.00 -0.02 0.00 0.00 56.01 55.95 2fvt n LEU 128 Cb 0.50 -1.55 -0.03 0.00 -1.62 0.00 0.00 43.42 40.72 2fvt n LEU 128 CO 0.66 -0.82 1.21 -0.70 -1.22 0.00 0.00 177.39 176.52 2fvt s GLU 129 N 6.64 3.36 -0.56 3.23 2.12 -1.26 -4.92 118.70 127.31 2fvt s GLU 129 Ca 1.01 0.39 0.04 0.00 0.36 0.00 0.00 54.97 56.77 2fvt s GLU 129 Cb -0.33 -4.09 0.16 0.00 0.26 0.00 0.00 34.13 30.12 2fvt s GLU 129 CO 0.34 -1.87 0.38 -1.01 -0.54 0.00 0.00 175.26 172.57 2fvt s HIS 130 N 5.75 2.65 -0.22 5.30 3.76 -1.26 -5.08 115.29 126.18 2fvt s HIS 130 Ca 0.50 -2.91 0.01 0.00 -0.15 0.00 0.00 55.06 52.51 2fvt s HIS 130 Cb -0.10 -2.15 0.05 0.00 1.11 0.00 0.00 32.58 31.49 2fvt s HIS 130 CO 0.25 -0.68 -0.10 -1.58 -0.85 0.00 0.00 174.74 171.78 2fvt s HIS 131 N -0.62 2.69 0.32 1.40 5.04 -1.26 -5.11 115.29 117.75 2fvt s HIS 131 Ca 0.24 -1.85 0.00 0.00 -1.54 0.00 0.00 55.06 51.91 2fvt s HIS 131 Cb -0.09 -1.73 0.06 0.00 0.04 0.00 0.00 32.58 30.86 2fvt s HIS 131 CO -0.12 -0.80 0.44 0.72 -2.34 0.00 0.00 174.74 172.65 2fvt n HIS 132 N 4.60 -3.12 -0.79 3.88 8.25 -1.26 -5.01 115.22 121.76 2fvt n HIS 132 Ca -0.14 -0.81 0.08 0.00 -0.26 0.00 0.00 57.72 56.59 2fvt n HIS 132 Cb 0.45 -0.32 0.30 0.00 1.12 0.00 0.00 29.99 31.54 2fvt n HIS 132 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2fvt n HIS 133 N -1.99 1.29 -3.76 4.41 8.25 -1.26 -4.92 115.22 117.23 2fvt n HIS 133 Ca 0.07 -0.74 -0.13 0.00 -0.26 0.00 0.00 57.72 56.67 2fvt n HIS 133 Cb 0.27 -0.31 -0.11 0.00 1.12 0.00 0.00 29.99 30.95 2fvt n HIS 133 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2fvt s HIS 134 N -2.38 -0.35 -2.00 4.41 5.65 -1.26 -5.39 115.29 113.97 2fvt s HIS 134 Ca 0.45 0.84 0.14 0.00 0.25 0.00 0.00 55.06 56.74 2fvt s HIS 134 Cb 0.33 0.12 0.81 0.00 -1.18 0.00 0.00 32.58 32.66 2fvt s HIS 134 CO 0.15 -0.17 1.24 1.58 -0.65 0.00 0.00 174.74 176.88